#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgo s ALA 22 N 0.00 -2.44 -0.21 3.04 0.00 -1.26 -4.88 121.76 116.02 2kgo s ALA 22 Ca 0.00 0.59 -0.08 0.00 0.00 0.00 0.00 51.96 52.47 2kgo s ALA 22 Cb 0.00 -2.66 0.09 0.00 0.00 0.00 0.00 23.12 20.55 2kgo s ALA 22 CO 0.00 -2.07 0.45 0.45 0.00 0.00 0.00 175.76 174.60 2kgo s SER 23 N 2.26 -0.40 0.00 0.00 0.15 -1.26 -4.92 113.70 109.52 2kgo s SER 23 Ca 0.14 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.85 2kgo s SER 23 Cb -0.06 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 2kgo s SER 23 CO -0.15 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2kgo n GLY 24 N 5.23 1.90 0.24 9.45 0.00 -1.17 -4.88 105.19 115.96 2kgo n GLY 24 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 2kgo n GLY 24 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2kgo h TRP 25 N 0.00 0.81 0.00 1.61 5.08 -1.91 -3.40 115.95 118.14 2kgo h TRP 25 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 58.89 59.90 2kgo h TRP 25 Cb 0.00 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 25.92 2kgo h TRP 25 CO 0.00 0.69 0.00 0.00 -1.28 0.00 0.00 178.44 177.85 2kgo n ALA 26 N -2.36 0.00 -3.29 0.11 0.00 -1.26 -4.29 120.51 109.42 2kgo n ALA 26 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.00 2kgo n ALA 26 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 2kgo n ALA 26 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kgo s ASN 27 N 0.00 6.44 0.62 0.00 0.02 -1.26 -4.99 114.94 115.77 2kgo s ASN 27 Ca 0.00 -2.14 -0.03 0.00 -1.02 0.00 0.00 52.86 49.68 2kgo s ASN 27 Cb 0.00 -2.22 0.04 0.00 0.02 0.00 0.00 41.25 39.09 2kgo s ASN 27 CO 0.00 -0.77 0.89 -1.81 0.02 0.00 0.00 177.10 175.43 2kgo s ASP 28 N 3.02 5.09 0.19 -1.22 1.11 -1.26 -3.06 116.67 120.53 2kgo s ASP 28 Ca 0.11 0.23 -0.11 0.00 0.18 0.00 0.00 52.55 52.95 2kgo s ASP 28 Cb -0.21 -1.02 0.10 0.00 1.07 0.00 0.00 42.92 42.87 2kgo s ASP 28 CO -0.02 -1.34 1.79 -0.78 1.18 0.00 0.00 175.17 176.00 2kgo h ASP 29 N -0.24 0.82 1.24 0.27 3.58 -2.00 -2.11 116.42 117.99 2kgo h ASP 29 Ca -0.43 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 56.91 2kgo h ASP 29 Cb 1.30 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.14 2kgo h ASP 29 CO 0.56 0.69 0.00 0.00 -2.88 0.00 0.00 179.24 177.61 2kgo h ALA 30 N 1.16 1.00 0.22 -0.78 0.00 -2.00 -2.95 119.26 115.91 2kgo h ALA 30 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.81 2kgo h ALA 30 Cb 0.06 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.88 2kgo h ALA 30 CO -0.03 0.00 -1.51 0.28 0.00 0.00 0.00 179.25 177.99 2kgo h VAL 31 N 0.00 1.19 -0.42 0.00 2.07 -1.88 -3.18 116.25 114.03 2kgo h VAL 31 Ca 0.00 -2.62 -0.06 0.00 0.82 0.00 0.00 66.70 64.85 2kgo h VAL 31 Cb 0.62 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 2kgo h VAL 31 CO 0.00 0.81 0.03 -1.13 0.02 0.00 0.00 177.57 177.31 2kgo h ASN 32 N 0.07 0.69 0.60 0.57 -1.24 -1.27 -0.95 115.58 114.05 2kgo h ASN 32 Ca -0.28 -0.28 -0.06 0.00 0.71 0.00 0.00 56.30 56.39 2kgo h ASN 32 Cb 2.09 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.95 2kgo h ASN 32 CO 0.23 0.80 -0.29 1.05 -1.29 0.00 0.00 177.43 177.94 2kgo h GLU 33 N 0.56 0.00 -0.03 6.67 4.11 -1.69 -0.62 114.58 123.57 2kgo h GLU 33 Ca 0.12 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.37 2kgo h GLU 33 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2kgo h GLU 33 CO 0.01 0.29 -0.76 0.37 0.07 0.00 0.00 179.01 178.99 2kgo h GLN 34 N 0.00 0.24 -0.17 1.06 -0.00 -1.42 -2.73 115.11 112.08 2kgo h GLN 34 Ca -0.00 -0.22 -0.13 0.00 -0.00 0.00 0.00 58.65 58.30 2kgo h GLN 34 Cb 0.66 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.18 2kgo h GLN 34 CO 0.04 0.89 -0.47 0.82 0.00 0.00 0.00 178.83 180.11 2kgo h ILE 35 N 0.15 1.32 -0.17 2.39 2.04 -0.82 -3.23 117.51 119.20 2kgo h ILE 35 Ca -0.03 -1.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.15 2kgo h ILE 35 Cb 1.34 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 2kgo h ILE 35 CO 0.12 0.51 0.01 -3.20 0.00 0.00 0.00 178.15 175.60 2kgo n ASN 36 N -3.99 2.37 -0.31 1.72 4.05 -0.27 -4.26 115.26 114.57 2kgo n ASN 36 Ca -0.02 -2.27 0.00 0.00 0.45 0.00 0.00 54.58 52.74 2kgo n ASN 36 Cb 0.54 -0.55 0.00 0.00 1.23 0.00 0.00 39.78 41.00 2kgo n ASN 36 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2kgo n SER 37 N 0.16 0.59 0.05 1.20 7.64 -1.13 -3.57 113.62 118.56 2kgo n SER 37 Ca 0.08 -1.88 -0.14 0.00 1.01 0.00 0.00 58.87 57.95 2kgo n SER 37 Cb 0.53 -0.29 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 2kgo n SER 37 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2kgo h THR 38 N 0.00 1.36 -0.24 0.44 2.02 -1.90 -3.23 112.91 111.36 2kgo h THR 38 Ca 0.00 -2.27 -0.12 0.00 0.77 0.00 0.00 66.41 64.78 2kgo h THR 38 Cb 0.29 2.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2kgo h THR 38 CO 0.00 0.69 -0.33 0.40 0.37 0.00 0.00 175.52 176.65 2kgo h ILE 39 N 0.31 1.32 0.00 3.11 5.03 -1.95 -3.22 117.51 122.10 2kgo h ILE 39 Ca -0.07 -1.53 -0.06 0.00 -0.12 0.00 0.00 64.86 63.08 2kgo h ILE 39 Cb 1.50 1.73 -0.01 0.00 -3.03 0.00 0.00 36.82 37.01 2kgo h ILE 39 CO 0.16 0.48 -0.30 1.05 -0.68 0.00 0.00 178.15 178.86 2kgo h GLU 40 N 0.35 0.00 -0.45 2.37 -0.00 -1.79 -1.24 114.58 113.82 2kgo h GLU 40 Ca 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.39 2kgo h GLU 40 Cb 0.91 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.64 2kgo h GLU 40 CO 0.08 0.30 0.29 0.22 -0.00 0.00 0.00 179.01 179.90 2kgo h ASP 41 N 0.00 0.50 -0.33 3.06 3.58 -1.57 0.16 116.42 121.81 2kgo h ASP 41 Ca -0.00 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 2kgo h ASP 41 Cb 0.54 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2kgo h ASP 41 CO 0.04 0.36 0.06 0.00 -2.88 0.00 0.00 179.24 176.81 2kgo h ALA 42 N 1.17 0.44 0.00 -0.78 0.00 -1.30 -2.33 119.26 116.47 2kgo h ALA 42 Ca 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2kgo h ALA 42 Cb -0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2kgo h ALA 42 CO -0.05 0.14 -0.06 0.82 0.00 0.00 0.00 179.25 180.10 2kgo h ILE 43 N 0.39 0.13 0.06 0.00 1.08 -1.23 -0.80 117.51 117.14 2kgo h ILE 43 Ca 0.10 -0.87 -0.25 0.00 -0.39 0.00 0.00 64.86 63.46 2kgo h ILE 43 Cb 0.35 1.77 0.01 0.00 -3.07 0.00 0.00 36.82 35.87 2kgo h ILE 43 CO 0.01 0.06 -1.07 0.00 -0.69 0.00 0.00 178.15 176.45 2kgo h ALA 44 N 1.94 0.24 0.00 1.87 0.00 -0.50 -0.67 119.26 122.13 2kgo h ALA 44 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2kgo h ALA 44 Cb 0.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2kgo h ALA 44 CO 0.01 0.85 -0.53 0.07 0.00 0.00 0.00 179.25 179.64 2kgo h ARG 45 N 0.19 0.00 0.00 0.00 0.11 -1.22 -2.65 114.38 110.80 2kgo h ARG 45 Ca -0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2kgo h ARG 45 Cb 1.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.82 2kgo h ARG 45 CO 0.19 0.00 -0.20 0.00 0.10 0.00 0.00 179.97 180.05 2kgo h ALA 46 N 2.48 0.00 0.00 0.08 0.00 -1.18 -3.45 119.26 117.20 2kgo h ALA 46 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kgo h ALA 46 Cb 0.76 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2kgo h ALA 46 CO 0.00 0.20 0.00 2.89 0.00 0.00 0.00 179.25 182.34 2kgo n ARG 47 N -4.02 1.94 -2.27 0.00 -4.01 -0.74 -5.06 116.66 102.50 2kgo n ARG 47 Ca -0.03 -0.18 -0.02 0.00 -1.04 0.00 0.00 57.85 56.58 2kgo n ARG 47 Cb 0.10 -0.61 0.01 0.00 -3.04 0.00 0.00 32.46 28.92 2kgo n ARG 47 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kgo n GLY 48 N 0.33 -0.57 0.16 2.89 0.00 -0.33 -4.99 105.19 102.68 2kgo n GLY 48 Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2kgo n GLY 48 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kgo h GLU 49 N 0.03 -0.28 -6.41 1.61 4.57 -1.71 -3.44 114.58 108.94 2kgo h GLU 49 Ca -0.08 0.02 -0.54 0.00 -1.18 0.00 0.00 59.36 57.58 2kgo h GLU 49 Cb 1.04 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2kgo h GLU 49 CO 0.16 0.10 0.76 0.42 -1.18 0.00 0.00 179.01 179.27 2kgo s ILE 50 N -4.03 3.75 0.87 2.32 -1.09 -1.26 -5.03 121.20 116.73 2kgo s ILE 50 Ca -0.13 1.17 -0.13 0.00 -2.23 0.00 0.00 60.65 59.33 2kgo s ILE 50 Cb 0.01 -3.75 0.12 0.00 -1.58 0.00 0.00 42.46 37.26 2kgo s ILE 50 CO 0.52 0.03 1.19 -2.16 -1.23 0.00 0.00 174.94 173.28 2kgo s PRO 51 N 1.97 1.43 0.17 2.79 0.04 -1.26 -4.99 135.00 135.14 2kgo s PRO 51 Ca 0.62 0.08 -0.07 0.00 0.04 0.00 0.00 61.00 61.67 2kgo s PRO 51 Cb -0.31 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.39 2kgo s PRO 51 CO 0.27 -1.96 1.50 0.00 0.04 0.00 0.00 177.00 176.85 2kgo h ARG 52 N -1.32 0.74 -3.15 4.56 -0.00 -1.99 -3.35 114.38 109.87 2kgo h ARG 52 Ca -0.47 -0.42 -0.79 0.00 -0.50 0.00 0.00 59.98 57.80 2kgo h ARG 52 Cb 1.31 0.03 -0.24 0.00 0.00 0.00 0.00 29.97 31.08 2kgo h ARG 52 CO 0.60 1.04 1.20 0.41 0.00 0.00 0.00 179.97 183.22 2kgo n GLY 53 N 0.18 4.99 0.22 0.04 0.00 -1.26 -4.64 105.19 104.72 2kgo n GLY 53 Ca -0.03 -2.47 -0.08 0.00 0.00 0.00 0.00 46.02 43.45 2kgo n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kgo h GLU 54 N 5.59 0.54 -6.21 1.61 5.08 -1.99 -3.41 114.58 115.79 2kgo h GLU 54 Ca 0.27 -0.30 -0.56 0.00 -1.00 0.00 0.00 59.36 57.77 2kgo h GLU 54 Cb 0.63 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2kgo h GLU 54 CO 1.42 0.89 0.96 -1.12 -1.00 0.00 0.00 179.01 180.16 2kgo s SER 55 N -6.88 6.84 0.81 1.42 0.01 -1.26 -4.38 113.70 110.26 2kgo s SER 55 Ca -0.07 1.92 -0.12 0.00 1.31 0.00 0.00 55.95 58.99 2kgo s SER 55 Cb 0.12 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.89 2kgo s SER 55 CO 0.83 -0.81 1.14 -1.48 0.41 0.00 0.00 173.24 173.32 2kgo s LEU 56 N 3.57 2.48 0.00 2.44 0.05 -1.17 -4.89 118.68 121.16 2kgo s LEU 56 Ca 0.62 0.99 0.09 0.00 0.05 0.00 0.00 54.13 55.87 2kgo s LEU 56 Cb -0.27 -3.52 0.23 0.00 -2.05 0.00 0.00 46.19 40.59 2kgo s LEU 56 CO 0.21 -1.96 1.17 0.47 -0.55 0.00 0.00 176.35 175.69 2kgo n ASP 57 N -3.38 2.66 -3.45 1.48 9.92 -1.26 -4.76 116.55 117.75 2kgo n ASP 57 Ca 0.07 -1.94 -0.20 0.00 -0.53 0.00 0.00 54.79 52.19 2kgo n ASP 57 Cb 0.59 -0.17 -0.12 0.00 -0.64 0.00 0.00 41.12 40.78 2kgo n ASP 57 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kgo s GLU 58 N -0.98 0.26 0.02 -1.24 2.02 -1.26 -2.37 118.70 115.15 2kgo s GLU 58 Ca 0.18 -0.13 -0.38 0.00 0.02 0.00 0.00 54.97 54.66 2kgo s GLU 58 Cb 0.10 -0.90 -0.17 0.00 0.10 0.00 0.00 34.13 33.25 2kgo s GLU 58 CO 0.13 -0.93 1.33 0.00 0.02 0.00 0.00 175.26 175.80 2kgo n GLU 60 N 2.60 0.01 -0.11 0.00 0.28 -0.56 -0.67 120.64 122.19 2kgo n GLU 60 Ca 0.20 0.17 -0.24 0.00 -0.16 0.00 0.00 57.16 57.12 2kgo n GLU 60 Cb 0.16 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.42 2kgo n GLU 60 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2kgo n GLU 61 N -1.49 0.57 -0.04 3.44 -0.58 -1.26 -4.78 120.64 116.51 2kgo n GLU 61 Ca 0.05 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 2kgo n GLU 61 Cb 0.22 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 2kgo n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kgo n GLY 63 N -0.18 1.72 3.78 0.00 0.00 0.16 -4.96 105.19 105.71 2kgo n GLY 63 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2kgo n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgo s ALA 64 N -2.60 2.90 -0.25 4.61 0.00 -1.26 -4.48 121.76 120.68 2kgo s ALA 64 Ca 0.00 0.74 -0.28 0.00 0.00 0.00 0.00 51.96 52.42 2kgo s ALA 64 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2kgo s ALA 64 CO 0.00 -0.46 2.08 -1.25 0.00 0.00 0.00 175.76 176.13 2kgo s PRO 65 N -2.97 3.21 -0.13 0.00 0.04 -1.26 -1.59 135.00 132.30 2kgo s PRO 65 Ca 0.66 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 63.25 2kgo s PRO 65 Cb -0.22 -4.31 -0.05 0.00 0.04 0.00 0.00 34.50 29.96 2kgo s PRO 65 CO 0.26 -2.01 1.80 0.42 0.04 0.00 0.00 177.00 177.51 2kgo s ILE 66 N 7.80 3.42 0.43 0.56 -1.09 -1.00 -4.83 121.20 126.50 2kgo s ILE 66 Ca 0.94 0.48 -0.25 0.00 -2.23 0.00 0.00 60.65 59.59 2kgo s ILE 66 Cb -0.30 -3.40 -0.08 0.00 -1.58 0.00 0.00 42.46 37.10 2kgo s ILE 66 CO 0.35 -0.14 1.34 -2.16 -1.23 0.00 0.00 174.94 173.10 2kgo s PRO 67 N 4.78 3.83 0.61 2.79 0.04 -1.26 -4.85 135.00 140.94 2kgo s PRO 67 Ca 0.80 2.23 0.40 0.00 0.04 0.00 0.00 61.00 64.47 2kgo s PRO 67 Cb -0.32 -2.69 1.98 0.00 0.04 0.00 0.00 34.50 33.52 2kgo s PRO 67 CO 0.33 -0.63 2.20 -0.56 0.04 0.00 0.00 177.00 178.37 2kgo h GLN 68 N 2.48 0.00 -0.38 4.56 -0.00 -1.97 -1.37 115.11 118.43 2kgo h GLN 68 Ca -0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.13 2kgo h GLN 68 Cb 1.26 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.72 2kgo h GLN 68 CO 0.62 0.00 0.17 0.00 -0.00 0.00 0.00 178.83 179.62 2kgo h ALA 69 N 2.00 0.49 -0.09 0.06 0.00 -1.99 -1.13 119.26 118.60 2kgo h ALA 69 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2kgo h ALA 69 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kgo h ALA 69 CO 0.00 0.07 -0.38 0.00 0.00 0.00 0.00 179.25 178.94 2kgo h ARG 70 N 0.47 0.18 -0.18 0.00 2.47 -1.63 -1.66 114.38 114.03 2kgo h ARG 70 Ca 0.13 -0.08 -0.13 0.00 -1.26 0.00 0.00 59.98 58.64 2kgo h ARG 70 Cb 0.15 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2kgo h ARG 70 CO -0.01 0.54 -0.39 0.00 0.56 0.00 0.00 179.97 180.66 2kgo h ARG 71 N 0.16 0.59 0.00 0.04 3.08 -1.20 -1.24 114.38 115.81 2kgo h ARG 71 Ca 0.02 -0.39 -0.21 0.00 0.07 0.00 0.00 59.98 59.47 2kgo h ARG 71 Cb 0.74 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 2kgo h ARG 71 CO 0.06 1.00 -1.10 1.05 -1.07 0.00 0.00 179.97 179.91 2kgo h GLU 72 N 0.25 0.00 0.01 0.04 -0.00 -1.22 -3.34 114.58 110.33 2kgo h GLU 72 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.29 2kgo h GLU 72 Cb 1.00 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.75 2kgo h GLU 72 CO 0.09 0.79 -0.30 0.00 -0.00 0.00 0.00 179.01 179.58 2kgo h ALA 73 N 1.09 0.02 -2.91 1.06 0.00 -1.39 -3.43 119.26 113.69 2kgo h ALA 73 Ca -0.07 -0.50 -0.71 0.00 0.00 0.00 0.00 54.91 53.63 2kgo h ALA 73 Cb 1.76 0.02 -0.28 0.00 0.00 0.00 0.00 17.79 19.29 2kgo h ALA 73 CO 0.11 0.12 -0.52 0.42 0.00 0.00 0.00 179.25 179.38 2kgo s ILE 74 N -2.99 4.14 -0.36 0.00 1.01 -0.47 -5.06 121.20 117.48 2kgo s ILE 74 Ca -0.16 -1.21 -0.28 0.00 0.00 0.00 0.00 60.65 59.00 2kgo s ILE 74 Cb 0.01 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 2kgo s ILE 74 CO 0.75 -0.35 1.81 -2.16 0.00 0.00 0.00 174.94 174.99 2kgo s PRO 75 N 1.44 3.26 -0.06 2.79 0.04 -1.26 -2.64 135.00 138.56 2kgo s PRO 75 Ca 0.01 1.35 -0.00 0.00 0.04 0.00 0.00 61.00 62.40 2kgo s PRO 75 Cb -0.21 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2kgo s PRO 75 CO 0.03 -1.95 0.05 0.41 0.04 0.00 0.00 177.00 175.58 2kgo n GLY 76 N 5.45 0.60 3.76 0.56 0.00 -1.26 -4.90 105.19 109.40 2kgo n GLY 76 Ca 0.23 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2kgo n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgo s VAL 77 N -3.02 2.52 -0.02 1.61 0.11 -1.08 -4.77 120.40 115.75 2kgo s VAL 77 Ca 0.01 0.42 0.05 0.00 -2.93 0.00 0.00 61.98 59.53 2kgo s VAL 77 Cb -0.01 -3.22 -0.08 0.00 -1.53 0.00 0.00 36.38 31.54 2kgo s VAL 77 CO 0.04 0.02 0.09 0.54 -3.33 0.00 0.00 175.10 172.45 2kgo n ARG 78 N -0.50 1.19 -5.07 1.54 3.00 -1.26 -3.01 116.66 112.55 2kgo n ARG 78 Ca 0.07 -0.04 -0.32 0.00 -0.01 0.00 0.00 57.85 57.56 2kgo n ARG 78 Cb 0.45 -1.14 -0.16 0.00 0.00 0.00 0.00 32.46 31.62 2kgo n ARG 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kgo s LEU 79 N -3.74 2.33 0.78 0.55 1.43 -1.26 -1.50 118.68 117.28 2kgo s LEU 79 Ca -0.02 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 2kgo s LEU 79 Cb 0.03 -1.47 0.07 0.00 0.03 0.00 0.00 46.19 44.84 2kgo s LEU 79 CO 0.23 0.19 1.11 0.00 0.23 0.00 0.00 176.35 178.11 2kgo h ILE 81 N -1.10 0.55 0.24 0.00 2.10 -1.95 0.30 117.51 117.64 2kgo h ILE 81 Ca -0.44 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 65.48 2kgo h ILE 81 Cb 1.24 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 2kgo h ILE 81 CO 0.50 0.00 -0.11 0.45 -1.08 0.00 0.00 178.15 177.91 2kgo h HIS 82 N 0.02 -0.30 0.00 2.19 -0.00 -1.99 -1.27 115.15 113.81 2kgo h HIS 82 Ca 0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.80 2kgo h HIS 82 Cb 1.73 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 29.23 2kgo h HIS 82 CO -0.00 0.07 0.00 0.00 -0.00 0.00 0.00 177.93 178.00 2kgo h GLN 84 N 0.00 0.04 -0.21 0.00 -0.00 -0.50 -3.21 115.11 111.23 2kgo h GLN 84 Ca 0.00 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.55 2kgo h GLN 84 Cb 0.54 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.03 2kgo h GLN 84 CO 0.00 1.03 -0.06 -0.56 0.00 0.00 0.00 178.83 179.24 2kgo h GLN 85 N -0.91 0.32 -0.25 1.69 3.07 -1.25 0.64 115.11 118.42 2kgo h GLN 85 Ca -0.11 -0.06 -0.10 0.00 0.09 0.00 0.00 58.65 58.46 2kgo h GLN 85 Cb 1.16 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.67 2kgo h GLN 85 CO -0.04 0.40 -0.24 1.05 0.09 0.00 0.00 178.83 180.10 2kgo h GLU 86 N 0.31 0.61 0.00 0.06 4.11 -1.70 -2.92 114.58 115.05 2kgo h GLU 86 Ca 0.07 -0.32 -0.07 0.00 0.07 0.00 0.00 59.36 59.11 2kgo h GLU 86 Cb 0.31 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2kgo h GLU 86 CO 0.01 0.91 -0.34 0.87 0.07 0.00 0.00 179.01 180.54 2kgo h LYS 87 N 0.33 0.00 0.00 1.06 1.79 -1.39 -2.24 116.57 116.12 2kgo h LYS 87 Ca 0.04 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 2kgo h LYS 87 Cb 0.79 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 2kgo h LYS 87 CO 0.06 0.34 -0.19 0.22 -1.08 0.00 0.00 179.45 178.80 2kgo h ASP 88 N 0.00 0.00 0.08 0.86 3.58 -0.84 -2.20 116.42 117.90 2kgo h ASP 88 Ca -0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 2kgo h ASP 88 Cb 0.86 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.92 2kgo h ASP 88 CO 0.04 0.19 -0.88 -0.07 -2.88 0.00 0.00 179.24 175.65 2kgo h LEU 89 N 0.00 0.75 0.00 2.28 3.38 -1.21 -3.33 115.31 117.18 2kgo h LEU 89 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2kgo h LEU 89 Cb 0.69 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2kgo h LEU 89 CO 0.02 1.33 0.00 0.00 0.09 0.00 0.00 178.44 179.89 2kgo n GLN 90 N -3.85 0.96 -1.67 1.13 1.13 -0.84 -4.83 117.38 109.41 2kgo n GLN 90 Ca -0.08 0.00 -0.45 0.00 -1.94 0.00 0.00 57.00 54.53 2kgo n GLN 90 Cb 0.79 -1.40 -0.04 0.00 0.11 0.00 0.00 30.24 29.71 2kgo n GLN 90 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kgo n LYS 91 N -0.90 2.53 0.18 -1.09 4.76 -1.13 -4.90 118.16 117.61 2kgo n LYS 91 Ca 0.18 0.92 0.03 0.00 -2.87 0.00 0.00 58.31 56.57 2kgo n LYS 91 Cb 0.08 -2.84 0.34 0.00 -1.84 0.00 0.00 35.03 30.78 2kgo n LYS 91 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2kgo h PRO 92 N 10.00 0.00 -0.26 1.97 0.13 -1.94 -3.47 132.00 138.43 2kgo h PRO 92 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 2kgo h PRO 92 Cb 1.26 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2kgo h PRO 92 CO 0.95 0.41 -0.10 0.00 -0.23 0.00 0.00 178.00 179.02 2kgo n ALA 93 N -2.43 -0.08 -3.02 -0.56 0.00 -1.26 -4.96 120.51 108.20 2kgo n ALA 93 Ca -0.02 0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 2kgo n ALA 93 Cb 0.45 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 2kgo n ALA 93 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kgo s TYR 94 N -1.73 -0.04 -0.20 0.00 1.13 -1.26 -5.15 117.35 110.10 2kgo s TYR 94 Ca 0.00 -0.30 -0.05 0.00 -1.41 0.00 0.00 57.07 55.30 2kgo s TYR 94 Cb 0.00 0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 41.06 2kgo s TYR 94 CO 0.00 -0.77 0.00 0.95 -2.51 0.00 0.00 175.55 173.22 2kgo s THR 95 N -3.86 3.98 -0.27 -3.49 -4.23 -1.26 -5.10 115.64 101.40 2kgo s THR 95 Ca 0.08 -0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 60.14 2kgo s THR 95 Cb 0.01 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 2kgo s THR 95 CO -0.07 0.43 0.34 -0.83 -0.54 0.00 0.00 174.62 173.95 2kgo s GLY 96 N 1.01 1.90 0.30 3.99 0.00 -1.26 -5.04 107.32 108.21 2kgo s GLY 96 Ca 0.02 -0.86 -0.13 0.00 0.00 0.00 0.00 44.72 43.74 2kgo s GLY 96 CO 0.02 0.91 0.59 -2.52 0.00 0.00 0.00 173.10 172.10 2kgo s TYR 97 N 1.98 0.33 -0.32 1.90 1.13 -1.26 -4.86 117.35 116.25 2kgo s TYR 97 Ca 0.13 -0.75 0.03 0.00 -1.41 0.00 0.00 57.07 55.07 2kgo s TYR 97 Cb -0.16 0.38 0.09 0.00 -1.10 0.00 0.00 41.96 41.18 2kgo s TYR 97 CO 0.10 -1.19 0.03 1.21 -2.51 0.00 0.00 175.55 173.19 2kgo s ASN 98 N -3.05 4.56 -0.47 -0.18 3.84 -1.26 -5.05 114.94 113.34 2kgo s ASN 98 Ca 0.20 -1.93 0.04 0.00 0.21 0.00 0.00 52.86 51.38 2kgo s ASN 98 Cb -0.03 -1.48 0.12 0.00 -0.55 0.00 0.00 41.25 39.32 2kgo s ASN 98 CO 0.11 -0.35 0.21 -0.13 -2.79 0.00 0.00 177.10 174.15 2kgo s ARG 99 N 1.06 1.78 -0.03 0.43 0.52 -1.26 -4.90 118.95 116.55 2kgo s ARG 99 Ca 0.07 -2.39 -0.03 0.00 -0.52 0.00 0.00 55.73 52.87 2kgo s ARG 99 Cb -0.19 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 2kgo s ARG 99 CO -0.10 -1.08 0.13 1.03 0.02 0.00 0.00 175.30 175.30 2kgo s ARG 100 N 0.04 3.29 0.49 3.54 1.81 -1.26 -5.02 118.95 121.84 2kgo s ARG 100 Ca 0.16 -0.34 0.19 0.00 -1.72 0.00 0.00 55.73 54.01 2kgo s ARG 100 Cb -0.24 -3.02 1.21 0.00 -0.45 0.00 0.00 34.95 32.45 2kgo s ARG 100 CO -0.02 0.69 2.05 0.78 -0.68 0.00 0.00 175.30 178.12 2kgo h GLY 101 N 4.20 0.00 0.00 -3.53 0.00 -2.05 -3.46 103.07 98.22 2kgo h GLY 101 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2kgo h GLY 101 CO 0.64 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.62 2kgo n SER 102 N -4.13 -3.21 -4.42 0.19 7.64 -1.26 -4.97 113.62 103.45 2kgo n SER 102 Ca -0.02 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.50 2kgo n SER 102 Cb 0.21 -2.10 -0.13 0.00 -1.01 0.00 0.00 64.21 61.18 2kgo n SER 102 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2kgo s LYS 103 N -1.04 3.60 -0.90 1.43 -0.14 -1.26 -5.04 119.74 116.39 2kgo s LYS 103 Ca 0.00 -0.51 -0.24 0.00 -1.36 0.00 0.00 55.97 53.85 2kgo s LYS 103 Cb 0.00 -3.21 -0.02 0.00 -1.68 0.00 0.00 37.83 32.92 2kgo s LYS 103 CO 0.00 -0.14 1.81 0.34 -0.76 0.00 0.00 175.35 176.60 2kgo s ASP 104 N 1.44 5.48 0.00 2.83 2.15 -1.26 -4.72 116.67 122.60 2kgo s ASP 104 Ca 0.05 -0.74 0.26 0.00 0.43 0.00 0.00 52.55 52.55 2kgo s ASP 104 Cb -0.15 -2.56 0.60 0.00 -0.30 0.00 0.00 42.92 40.52 2kgo s ASP 104 CO 0.02 -2.41 1.47 -0.24 -0.17 0.00 0.00 175.17 173.83 2kgo n SER 105 N 12.62 1.00 -4.55 -0.34 2.88 -1.26 -4.75 113.62 119.22 2kgo n SER 105 Ca 0.36 -0.81 -0.42 0.00 -1.33 0.00 0.00 58.87 56.66 2kgo n SER 105 Cb 0.48 0.22 -0.02 0.00 -0.75 0.00 0.00 64.21 64.15 2kgo n SER 105 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2kgo s GLN 106 N -2.62 3.75 -1.29 -1.46 1.11 -1.26 -4.92 119.66 112.97 2kgo s GLN 106 Ca 0.20 -1.55 -0.18 0.00 0.01 0.00 0.00 55.36 53.84 2kgo s GLN 106 Cb 0.19 -5.36 0.04 0.00 -1.01 0.00 0.00 33.01 26.86 2kgo s GLN 106 CO 0.57 -2.16 1.83 1.47 0.01 0.00 0.00 175.29 177.01 2kgo n LEU 107 N 8.32 4.85 -0.78 2.90 -0.00 -1.26 -5.28 117.00 125.74 2kgo n LEU 107 Ca 0.38 -3.81 0.10 0.00 -0.00 0.00 0.00 56.01 52.68 2kgo n LEU 107 Cb 0.49 -1.72 0.08 0.00 -0.00 0.00 0.00 43.42 42.27 2kgo n LEU 107 CO 0.68 -0.06 0.56 0.54 -0.00 0.00 0.00 177.39 179.11